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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-59491
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Ba', 'Sm', 'Fe', 'S']
  • Chemical System: Ba-Fe-S-Sm
  • Density: 5.334954754906199
  • Atomic Density: 0.04419797046552017
  • Unit Cell Volume: 407.25851912232497
  • Molar Volume: 13.625378488132181
  • Full Formula: Ba2 Sm4 Fe2 S10
  • Reduced Formula: BaSm2FeS5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm